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1H,3H-2a,5a-(Methaniminomethano)dicyclopropa[b,g]naphthalene-1,4-dicarboxylic acid, octahydro-8-methyl-7,9-dioxo-, diethyl ester
SpectraBase Compound ID FNaDkOUWk6V
InChI InChI=1S/C21H27NO6/c1-4-27-16(23)14-10-6-20-8-12-13(15(12)17(24)28-5-2)9-21(20,7-11(10)14)19(26)22(3)18(20)25/h10-15H,4-9H2,1-3H3
InChIKey KETKAAHYSBVEBC-UHFFFAOYSA-N
Mol Weight 389.45 g/mol
Molecular Formula C21H27NO6
Exact Mass 389.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvG6uQcbpWN
Name 1H,3H-2a,5a-(Methaniminomethano)dicyclopropa[b,g]naphthalene-1,4-dicarboxylic acid, octahydro-8-methyl-7,9-dioxo-, diethyl ester
CAS Registry Number 64812-97-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO6
InChI InChI=1S/C21H27NO6/c1-4-27-16(23)14-10-6-20-8-12-13(15(12)17(24)28-5-2)9-21(20,7-11(10)14)19(26)22(3)18(20)25/h10-15H,4-9H2,1-3H3
InChIKey KETKAAHYSBVEBC-UHFFFAOYSA-N
Molecular Weight 389.448 g/mol
SMILES C123C(C(=O)N(C3=O)C)(CC3C(C1)C3C(=O)OCC)CC1C(C2)C1C(=O)OCC
SPLASH splash10-0006-0029000000-076dc1a412cac2793072
Source of Spectrum F-33-1166-0
Synonyms 4,10-bis(ethoxycarbonyl)-14-methyl-13,15-dioxo-14-azapentacyclo[5.5.3.0(1,7).0(3,5).0(9,11)]pentadecane (undetermined stereochemistry) 4,10-diethyl 14-methyl-13,15-dioxo-14-azapentacyclo[5.5.3.0(1,7).0(3,5).0(9,11)]pentadecane-4,10-dicarboxylate
Wiley ID 1364343